Re: [Open Babel] Python Openbabel Module Difficulties

2011-03-18 Thread Bradley Calhoun
at 8:57 AM, JP wrote: > Maybe; you have a different version number than NoB than? > > Details!Details! > > > On 18 March 2011 13:53, Bradley Calhoun wrote: > >> I have to wonder then what the difference is. I ran the code again to >> make sure, and the program s

Re: [Open Babel] Python Openbabel Module Difficulties

2011-03-18 Thread Bradley Calhoun
#x27; ) *** - Brad On Fri, Mar 18, 2011 at 5:24 AM, Noel O'Boyle wrote: > Hi Brad, > > It works for me, but it takes 10 seconds. It also uncovers a bug - the > system is not detected as aromatic. > > Is this a real molecule? > > - Noel > > On 17 March 2011 1

[Open Babel] Python Openbabel Module Difficulties

2011-03-18 Thread Bradley Calhoun
Hello, I am currently struggling with a particular interaction in openbabel. When I run the following python code, the obConversion object correctly reads X, but it just stalls on Y. *** import openbabel import sys obConversion = openbabel.OBConversion() obConversion.SetInAndOutFormats("smi", "